Molecule card · MolClass #44197
24783160
24783160: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24783160Mitochondrial Fusion · compound_name
- MolClass ID
- 44197
- InChIKey
- DSYZZZRDJKULRI-UHFFFAOYSA-N
- Canonical SMILES
- Cc2onc(C(=O)NCc1cccs1)c2[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H9N3O4S/c1-6-9(13(15)16)8(12-17-6)10(14)11-5-7-3-2-4-18-7/h2-4H,5H2,1H3,(H,11,14)
- Stored Murcko scaffold
- n1occc1[CH]NCc2sccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 24783087#47977
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.51 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.263 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.292
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24783160